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Spatial extent of the singlet and triplet excitons in transition metal‐containing poly‐ynes

Title data

Beljonne, David ; Wittmann, H. F. ; Köhler, Anna ; Graham, S. ; Younus, Muhammad ; Lewis, Jack ; Raithby, Paul R. ; Khan, Muhammad S. ; Friend, Richard H. ; Bredas, J.-L.:
Spatial extent of the singlet and triplet excitons in transition metal‐containing poly‐ynes.
In: The Journal of Chemical Physics. Vol. 105 (1996) Issue 9 . - p. 3868.
ISSN 0021-9606
DOI: https://doi.org/10.1063/1.472207

Abstract in another language

We present a joint experimental and theoretical investigation of the electronic excitations in transition metal‐containing phenylene ethynylenes. The influence of the metal on the nature of the lowest singlet and triplet excited states is characterized. We find that π conjugation occurs through the metal sites, which deeply modifies the optical properties of the conjugated chains. We also analyze the chain‐length dependence of the singlet–singlet, S 0→S 1, singlet–triplet, S 0→T 1, and triplet–triplet, T 1→T n , transition energies; both experimental data and theoretical results indicate that the lowest triplet exciton,T 1, is strongly localized on a single phenylene ring while the S 1 and T n states extend over a few repeating units. Finally, we estimate the geometric relaxation phenomena occurring in the lowest excited states and perform a Huang–Rhys analysis of the triplet emission spectrum in model systems.

Further data

Item Type: Article in a journal
Refereed: No
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie - Univ.-Prof. Dr. Anna Köhler
Faculties
Faculties > Faculty of Mathematics, Physics und Computer Science
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics
Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Lehrstuhl Experimentalphysik II - Optoelektronik weicher Materie
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 18 Mar 2015 10:29
Last Modified: 18 Mar 2015 10:29
URI: https://eref.uni-bayreuth.de/id/eprint/8487